Scientific Archives - Page 23 of 34

MPQC – Massively Parallel Quantum Chemistry software

MPQC (Massively Parallel Quantum Chemistry Program) is software that computes properties of atoms and molecules from first principles.

NWChem is an ab initio computational chemistry software package that is suitable to perform complex calculations on molecular structure.

Avogadro is an advanced open source molecular editor designed for cross-platform use in computational chemistry, and other areas.

PyMOL is a molecular graphics system designed for real-time visualization and molecular graphics images and animations.

CP2K is a free and open source quantum chemistry and solid state physics software package that can perform atomistic simulations.

Open Babel is a version of the Babel chemistry file translation program. Convert, analyze, or store data from molecular modeling.

Gabedit is a graphical user interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC, PCGamess and Q-Chem computational chemistry packages.

Jmol is a Java viewer for three-dimensional chemical structures with features for chemicals, crystals, materials and biomolecules.

Kalzium is a chemistry application for KDE 5, including a Periodic Table of Elements, chemical reference, chemical equation solver, and more.

XDrawChem is a 2D editor for chemical structures and reactions. It mirrors the abilities of the commercial ChemDraw suite.

MoleQueue is a C++ desktop application for abstracting, managing, and coordinating the execution of tasks.

BKChem is a free and open source 2D molecule editor written in Python. It has a wealth of features but is simple to use.

MITIE: MIT Information Extraction offers state-of-the-art information extraction tools. MITIE is free and open source software.

text2vec is an R package which provides an efficient framework with a concise API for text analysis and natural language processing (NLP).

Moses is a statistical machine translation system to automatically train translation models for any language pair.